2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide

C16H17N5OS — CID 122245894

IUPAC2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)s1
InChIInChI=1S/C16H17N5OS/c1-10-15(23-11(2)20-10)16(22)18-7-12-4-5-17-14(6-12)13-8-19-21(3)9-13/h4-6,8-9H,7H2,1-3H3,(H,18,22)
InChIKeyKPJKBFGQSIHVDK-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.49
Rot. Bonds4

About 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 122245894) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID122245894
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)s1
InChIInChI=1S/C16H17N5OS/c1-10-15(23-11(2)20-10)16(22)18-7-12-4-5-17-14(6-12)13-8-19-21(3)9-13/h4-6,8-9H,7H2,1-3H3,(H,18,22)
InChIKeyKPJKBFGQSIHVDK-UHFFFAOYSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (CID 122245894) is 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)s1.
What is the InChIKey of 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KPJKBFGQSIHVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10-15(23-11(2)20-10)16(22)18-7-12-4-5-17-14(6-12)13-8-19-21(3)9-13/h4-6,8-9H,7H2,1-3H3,(H,18,22).
What are the key properties of 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122245894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).